benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

C19H27N3O3 — CID 97175447

IUPACbenzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESC[C@H](N)C(=O)N1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-15(20)17(23)21-10-7-19(8-11-21)9-12-22(14-19)18(24)25-13-16-5-3-2-4-6-16/h2-6,15H,7-14,20H2,1H3/t15-/m0/s1
InChIKeyVYPAIZVANFOXPT-HNNXBMFYSA-N
MW345.44 g/mol
LogP1.98
Rot. Bonds3

About benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate

benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 97175447) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID97175447
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namebenzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESC[C@H](N)C(=O)N1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-15(20)17(23)21-10-7-19(8-11-21)9-12-22(14-19)18(24)25-13-16-5-3-2-4-6-16/h2-6,15H,7-14,20H2,1H3/t15-/m0/s1
InChIKeyVYPAIZVANFOXPT-HNNXBMFYSA-N
XLogP1.98
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 129073488
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 176719975
1-O-benzyl 3-O-ethyl (3S)-3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate
CID 155818759
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536

Frequently Asked Questions

What is the IUPAC name of benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 97175447) is benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is C[C@H](N)C(=O)N1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1.
What is the InChIKey of benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is VYPAIZVANFOXPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(20)17(23)21-10-7-19(8-11-21)9-12-22(14-19)18(24)25-13-16-5-3-2-4-6-16/h2-6,15H,7-14,20H2,1H3/t15-/m0/s1.
What are the key properties of benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 97175447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).